6-chloro-N-morpholin-4-ylpyridine-3-sulfonamide

C9H12ClN3O3S — CID 83014235

IUPAC6-chloro-N-morpholin-4-ylpyridine-3-sulfonamide
SMILESO=S(=O)(NN1CCOCC1)c1ccc(Cl)nc1
InChIInChI=1S/C9H12ClN3O3S/c10-9-2-1-8(7-11-9)17(14,15)12-13-3-5-16-6-4-13/h1-2,7,12H,3-6H2
InChIKeyIAQQYZOTIHUIRJ-UHFFFAOYSA-N
MW277.73 g/mol
LogP0.26
Rot. Bonds3

About 6-chloro-N-morpholin-4-ylpyridine-3-sulfonamide

6-chloro-N-morpholin-4-ylpyridine-3-sulfonamide (PubChem CID 83014235) has the molecular formula C9H12ClN3O3S and a molecular weight of 277.73 g/mol. Its IUPAC name is 6-chloro-N-morpholin-4-ylpyridine-3-sulfonamide.

Molecular Properties

Compound Name6-chloro-N-morpholin-4-ylpyridine-3-sulfonamide
PubChem CID83014235
Molecular FormulaC9H12ClN3O3S
Molecular Weight277.73 g/mol
Exact Mass277.03
IUPAC Name6-chloro-N-morpholin-4-ylpyridine-3-sulfonamide
SMILESO=S(=O)(NN1CCOCC1)c1ccc(Cl)nc1
InChIInChI=1S/C9H12ClN3O3S/c10-9-2-1-8(7-11-9)17(14,15)12-13-3-5-16-6-4-13/h1-2,7,12H,3-6H2
InChIKeyIAQQYZOTIHUIRJ-UHFFFAOYSA-N
XLogP0.26
TPSA71.53 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.73
LogP ≤ 50.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Related Compounds

4-[(6-Chloropyridin-3-yl)sulfonyl]morpholine
CID 274147
6-Chloro-N,N-diethylpyridine-3-sulfonamide
CID 2433226
6-chloro-N,N-di(propan-2-yl)pyridine-3-sulfonamide
CID 2433231
2-Chloro-5-(pyrrolidine-1-sulfonyl)pyridine
CID 2433223
6-chloro-N-methylpyridine-3-sulfonamide
CID 902063
6-Chloropyridine-3-sulfonamide
CID 1201512
2-Chloro-5-(piperidine-1-sulfonyl)-pyridine
CID 2433201
6-chloro-N,N-bis(2-methoxyethyl)pyridine-3-sulfonamide
CID 1814408
6-chloro-N-(tetrahydro-2-furanylmethyl)-3-pyridinesulfonamide
CID 5151378
1-[(6-Chloro-3-pyridinyl)sulfonyl]-4-ethylpiperazine
CID 822459
2-Chloro-pyridine-3-sulfonic acid amide
CID 12234445
3-(Morpholinosulfonyl)pyridine
CID 4276436

Frequently Asked Questions

What is the IUPAC name of 6-chloro-N-morpholin-4-ylpyridine-3-sulfonamide?
The IUPAC name of 6-chloro-N-morpholin-4-ylpyridine-3-sulfonamide (CID 83014235) is 6-chloro-N-morpholin-4-ylpyridine-3-sulfonamide.
What is the SMILES notation for 6-chloro-N-morpholin-4-ylpyridine-3-sulfonamide?
The canonical SMILES for 6-chloro-N-morpholin-4-ylpyridine-3-sulfonamide is O=S(=O)(NN1CCOCC1)c1ccc(Cl)nc1.
What is the InChIKey of 6-chloro-N-morpholin-4-ylpyridine-3-sulfonamide?
The InChIKey is IAQQYZOTIHUIRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12ClN3O3S/c10-9-2-1-8(7-11-9)17(14,15)12-13-3-5-16-6-4-13/h1-2,7,12H,3-6H2.
What are the key properties of 6-chloro-N-morpholin-4-ylpyridine-3-sulfonamide?
6-chloro-N-morpholin-4-ylpyridine-3-sulfonamide has a molecular weight of 277.73 g/mol, XLogP of 0.26, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-N-morpholin-4-ylpyridine-3-sulfonamide is sourced from PubChem (CID 83014235), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).